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CHEBI:185143 - [2-({4,5-dihydroxy-2-[4-(7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-4-hydroxy-4-[(1H-indole-3-carbonyloxy)methyl]oxolan-3-yl]oxidanesulfonic acid

ChEBI IDCHEBI:185143
ChEBI Name[2-({4,5-dihydroxy-2-[4-(7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-4-hydroxy-4-[(1H-indole-3-carbonyloxy)methyl]oxolan-3-yl]oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H35NO17S
Net Charge0
Average Mass773.722
Monoisotopic Mass773.16257
SMILESO=C1CC(c2ccc(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(COC(=O)c4cnc5ccccc45)C3OS(=O)(=O)O)cc2)Oc2cc(O)ccc21
InChIInChI=1S/C35H35NO17S/c37-14-27-28(40)29(41)30(33(51-27)49-19-8-5-17(6-9-19)25-12-24(39)21-10-7-18(38)11-26(21)50-25)52-34-31(53-54(44,45)46)35(43,16-48-34)15-47-32(42)22-13-36-23-4-2-1-3-20(22)23/h1-11,13,25,27-31,33-34,36-38,40-41,43H,12,14-16H2,(H,44,45,46)
InChIKeyPLFALMHVECZGMA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
[2-({4,5-dihydroxy-2-[4-(7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-4-hydroxy-4-[(1H-indole-3-carbonyloxy)methyl]oxolan-3-yl]oxidanesulfonic acid (CHEBI:185143) is a flavonoids (CHEBI:72544)
[2-({4,5-dihydroxy-2-[4-(7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-4-hydroxy-4-[(1H-indole-3-carbonyloxy)methyl]oxolan-3-yl]oxidanesulfonic acid (CHEBI:185143) is a glycoside (CHEBI:24400)
IUPAC Name 
[5-[4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenoxy]oxan-3-yl]oxy-3-hydroxy-4-sulooxyoxolan-3-yl]methyl 1H-indole-3-carboxylate
Manual XrefsDatabases
HMDB0134936HMDB